fprintf(fp, "\n *** Chemical shifts from the chemical shift index ***\n");
please_cite(fp, "Wishart98a");
- fprintf(fp, "%12s %10s %10s %10s %10s\n", "Residue", "delta Ca", "delta Ha", "delta CO",
+ fprintf(fp,
+ "%12s %10s %10s %10s %10s\n",
+ "Residue",
+ "delta Ca",
+ "delta Ha",
+ "delta CO",
"delta Cb");
for (i = 0; (i < nlist); i++)
{
co += interpolate(phi, psi, co_sd);
ha += interpolate(phi, psi, ha_sd);
}
- fprintf(fp, "%12s %10g %10g %10g %10g\n", dlist[i].name, ca / nf, ha / nf, co / nf,
- cb / nf);
+ fprintf(fp, "%12s %10g %10g %10g %10g\n", dlist[i].name, ca / nf, ha / nf, co / nf, cb / nf);
}
}
fprintf(fp, "\n");